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Green Chemistry and Computational Chemistry

Green Chemistry and Computational Chemistry
Author: Liliana L. Mammino
Publisher: Elsevier
Total Pages: 510
Release: 2021-11-17
Genre: Science
ISBN: 0323851827

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Green chemistry already draws on many techniques and approaches developed by theoretical chemists, whilst simultaneously revealing a whole range of interesting new challenges for theoretical chemists to explore. Highlighting how work at the intersection of these fields has already produced beneficial results, Green Chemistry and Computational Chemistry: Shared Lessons in Sustainability is a practical, informative guide to combining green and theoretical chemistry principles and approaches in the development of more sustainable practices.Beginning with an introduction to both theoretical chemistry and green chemistry, the book goes on to explore current approaches being taken by theoretical chemists to address green and sustainable chemistry issues, before moving on to highlight ways in which green chemists are employing the knowledge and techniques of theoretical chemistry to help in developing greener processes. The future possibilities for theoretical chemistry in addressing sustainability issues are discussed, before a selection of case studies provides good insight into how these interactions and approaches have been successfully used in practice. Highlights the benefits of green and theoretical chemistry groups working together to tackle sustainability issues across both academia and industry Supports readers in easily selecting the most appropriate path through the book for their own needs Presents a range of examples examining the practical implications and outcomes of interdisciplinary approaches


Green Chemical Processes

Green Chemical Processes
Author: Mark Anthony Benvenuto
Publisher: Walter de Gruyter GmbH & Co KG
Total Pages: 156
Release: 2017-10-10
Genre: Science
ISBN: 3110445921

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The "greening" of industry processes - i.e., making them more sustainable - is a popular and often lucrative trend which has seen increased attention in recent years. Green Chemical Processes, the 2nd volume of Green Chemical Processing, covers the hot topic of sustainability in chemistry with a view to education, as well as considering corporate and environmental interests, e.g. in the context of energy production. The diverse team of authors allows for a balance between these different, but interconnected perspectives. The American Chemical Society’s 12 Principles of Green Chemistry are woven throughout this text as well as the series to which this book belongs.


Green Chemistry

Green Chemistry
Author: Bela Torok
Publisher: Elsevier
Total Pages: 1058
Release: 2017-11-07
Genre: Science
ISBN: 0128095490

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Green Chemistry: An Inclusive Approach provides a broad overview of green chemistry for researchers from either an environmental science or chemistry background, starting at a more elementary level, incorporating more advanced concepts, and including more chemistry as the book progresses. Every chapter includes recent, state-of-the-art references, in particular, review articles, to introduce researchers to this field of interest and provide them with information that can be easily built upon. By bringing together experts in multiple subdisciplines of green chemistry, the editors have curated a single central resource for an introduction to the discipline as a whole. Topics include a broad array of research fields, including the chemistry of Earth’s atmosphere, water and soil, the synthesis of fine chemicals, and sections on pharmaceuticals, plastics, energy related issues (energy storage, fuel cells, solar, and wind energy conversion etc., greenhouse gases and their handling, chemical toxicology issues of everyday products (from perfumes to detergents or clothing), and environmental policy issues. Introduces the topic of green chemistry with an overview of key concepts Expands upon presented concepts with the latest research and applications, providing both the breadth and depth researchers need Includes a broad range of application based problems to make the content accessible for professional researchers and undergraduate and graduate students Authored by experts in a broad range of fields, providing insider information on the aspects or challenges of a given field that are most important and urgent


Green Toxicology

Green Toxicology
Author: Alexandra Maertens
Publisher: Royal Society of Chemistry
Total Pages: 307
Release: 2022-02-01
Genre: Science
ISBN: 1839164409

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Green toxicology is an integral part of green chemistry. One of the key goals of green chemistry is to design less toxic chemicals. Therefore, an understanding of toxicology and hazard assessment is important for any chemist working in green chemistry, but toxicology is rarely part of most chemists' education. As a consequence, chemists lack the toxicological lens necessary to view chemicals in order to design safer substitutions. This book seeks to fill that gap and demonstrate how a basic understanding of toxicology, as well as the tools of in silico and in vitro toxicology, can be an integral part of green chemistry. R&D chemists, product stewards, and toxicologists who work in the field of sustainability, can all benefit from integrating green toxicology principles into their work. Topics include in silico tools for hazard assessment, toxicity testing, and lifecycle considerations, this book aims to act as a bridge between green toxicologists and green chemists.


Theory and Applications of Computational Chemistry

Theory and Applications of Computational Chemistry
Author: Clifford Dykstra
Publisher: Elsevier
Total Pages: 1336
Release: 2011-10-13
Genre: Science
ISBN: 0080456243

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Computational chemistry is a means of applying theoretical ideas using computers and a set of techniques for investigating chemical problems within which common questions vary from molecular geometry to the physical properties of substances. Theory and Applications of Computational Chemistry: The First Forty Years is a collection of articles on the emergence of computational chemistry. It shows the enormous breadth of theoretical and computational chemistry today and establishes how theory and computation have become increasingly linked as methodologies and technologies have advanced. Written by the pioneers in the field, the book presents historical perspectives and insights into the subject, and addresses new and current methods, as well as problems and applications in theoretical and computational chemistry. Easy to read and packed with personal insights, technical and classical information, this book provides the perfect introduction for graduate students beginning research in this area. It also provides very readable and useful reviews for theoretical chemists. * Written by well-known leading experts * Combines history, personal accounts, and theory to explain much of the field of theoretical and compuational chemistry * Is the perfect introduction to the field


Sustainable Chemistry Research

Sustainable Chemistry Research
Author: Ponnadurai Ramasami
Publisher: Walter de Gruyter GmbH & Co KG
Total Pages: 462
Release: 2023-10-23
Genre: Science
ISBN: 3111071634

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This edited book of proceedings is a collection of seventeen selected and peer-reviewed contributions from the Virtual Conference on Chemistry and its Applications (VCCA-2022). VCCA-2022 was held online from 8th to 12th August 2022. The theme of the conference was "Resilience and Sustainable Research through Basic Sciences". 500 participants from 55 countries participated in VCCA-2022. This volume 2 reflects the chapters covering computational and industrial aspects.


Green Chemistry

Green Chemistry
Author: Suresh C. Ameta
Publisher: CRC Press
Total Pages: 398
Release: 2013-09-11
Genre: Science
ISBN: 1926895436

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This book highlights the potential and scope of green chemistry for clean and sustainable development. Covering the basics, the book introduces readers to the need and the many applications and benefits and advantages of environmentally friendly chemical practice and application in industry. The book addresses such topics as ecologically safe products, catalysts and solvents, conditions needed to produce such products, types of chemical processes that are conducive to green chemistry, and much more.


Green Chemistry for Environmental Sustainability

Green Chemistry for Environmental Sustainability
Author: Sanjay K. Sharma
Publisher: CRC Press
Total Pages: 450
Release: 2010-07-19
Genre: Nature
ISBN: 1439824746

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When the Nobel Prize Committee recognized the importance of green chemistry with its 2005 Nobel Prize for Chemistry, this relatively new science came into its own. Although no concerted agreement has been reached yet about the exact content and limits of this interdisciplinary discipline, there seems to be increasing interest in environmental topic


Modern Quantum Chemistry

Modern Quantum Chemistry
Author: Attila Szabo
Publisher: Courier Corporation
Total Pages: 480
Release: 2012-06-08
Genre: Science
ISBN: 0486134598

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This graduate-level text explains the modern in-depth approaches to the calculation of electronic structure and the properties of molecules. Largely self-contained, it features more than 150 exercises. 1989 edition.


Introduction to Computational Chemistry

Introduction to Computational Chemistry
Author: Frank Jensen
Publisher: John Wiley & Sons
Total Pages: 664
Release: 2016-12-14
Genre: Science
ISBN: 1118825950

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Introduction to Computational Chemistry 3rd Edition provides a comprehensive account of the fundamental principles underlying different computational methods. Fully revised and updated throughout to reflect important method developments and improvements since publication of the previous edition, this timely update includes the following significant revisions and new topics: Polarizable force fields Tight-binding DFT More extensive DFT functionals, excited states and time dependent molecular properties Accelerated Molecular Dynamics methods Tensor decomposition methods Cluster analysis Reduced scaling and reduced prefactor methods Additional information is available at: www.wiley.com/go/jensen/computationalchemistry3